04:00
2026-09-25
arxiv.org
machine-learning
SMILESGNN: Interpretable Clinical Toxicity Prediction via SMILES-Graph Cross-Attention Fusion
SMILESGNN, a multimodal architecture that fuses a SMILES Transformer encoder with a GATv2 graph encoder via cross-attention, achieved AUC-ROC 0.987 and F1 0.906 on ClinTox with only 0.4M parameters, a…